1.0 2010-04-08 22:15:05 UTC 2025-11-19 02:32:21 UTC FDB020521 Rheinoside A Constituent of rhubarb (Rheum species). Rheinoside A is found in green vegetables. C27H30O16 610.5175 610.153384912 4,9-dihydroxy-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acid 4,9-dihydroxy-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-2-carboxylic acid 111545-28-9 OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C27H30O16/c28-6-13-17(31)20(34)22(36)24(41-13)27(40)9-2-1-3-12(42-26-23(37)21(35)18(32)14(7-29)43-26)16(9)19(33)15-10(27)4-8(25(38)39)5-11(15)30/h1-5,13-14,17-18,20-24,26,28-32,34-37,40H,6-7H2,(H,38,39) OJZWDOKDQBCANR-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Anthracenecarboxylic acids Organic compounds Benzenoids Anthracenes Anthracenecarboxylic acids and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Aryl ketones C-glycosyl compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives Monosaccharides Naphthalenecarboxylic acids O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Tertiary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives Acetal Alcohol Anthracene carboxylic acid Aromatic heteropolycyclic compound Aryl ketone C-glycosyl compound Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative Hydroxybenzoic acid Ketone Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Tertiary alcohol Vinylogous acid logp -1.82 ALOGPS logs -1.71 ALOGPS solubility 1.20e+01 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic 3.49 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 4,9-dihydroxy-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acid ChemAxon average_mass 610.5175 ChemAxon mono_mass 610.153384912 ChemAxon smiles OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C27H30O16 ChemAxon inchi InChI=1S/C27H30O16/c28-6-13-17(31)20(34)22(36)24(41-13)27(40)9-2-1-3-12(42-26-23(37)21(35)18(32)14(7-29)43-26)16(9)19(33)15-10(27)4-8(25(38)39)5-11(15)30/h1-5,13-14,17-18,20-24,26,28-32,34-37,40H,6-7H2,(H,38,39) ChemAxon inchikey OJZWDOKDQBCANR-UHFFFAOYSA-N ChemAxon polar_surface_area 284.36 ChemAxon refractivity 137.72 ChemAxon polarizability 57.02 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12015 Specdb::CMs 46923 Specdb::CMs 507942 Specdb::CMs 507943 Specdb::CMs 507944 Specdb::CMs 507945 Specdb::CMs 507946 Specdb::CMs 507947 Specdb::CMs 507948 Specdb::CMs 507949 Specdb::CMs 507950 Specdb::CMs 507951 Specdb::CMs 507952 Specdb::CMs 507953 Specdb::CMs 507954 Specdb::CMs 507955 Specdb::CMs 507956 Specdb::CMs 507957 Specdb::CMs 507958 Specdb::CMs 507959 Specdb::CMs 507960 Specdb::CMs 507961 Specdb::CMs 507962 Specdb::CMs 507963 Specdb::CMs 507964 Specdb::NmrOneD 43022 Specdb::NmrOneD 43023 Specdb::NmrOneD 43024 Specdb::NmrOneD 43025 Specdb::NmrOneD 43026 Specdb::NmrOneD 43027 Specdb::NmrOneD 43028 Specdb::NmrOneD 43029 Specdb::NmrOneD 43030 Specdb::NmrOneD 43031 Specdb::NmrOneD 43032 Specdb::NmrOneD 43033 Specdb::NmrOneD 43034 Specdb::NmrOneD 43035 Specdb::NmrOneD 43036 Specdb::NmrOneD 43037 Specdb::NmrOneD 43038 Specdb::NmrOneD 43039 Specdb::NmrOneD 43040 Specdb::NmrOneD 43041 Specdb::MsMs 292462 Specdb::MsMs 292463 Specdb::MsMs 292464 Specdb::MsMs 332662 Specdb::MsMs 332663 Specdb::MsMs 332664 Specdb::MsMs 2334055 Specdb::MsMs 2334056 Specdb::MsMs 2334057 Specdb::MsMs 2632466 Specdb::MsMs 2632467 Specdb::MsMs 2632468 HMDB0040715 Green vegetables Unknown generic